Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50418925
Substrate
n/a
Meas. Tech.
ChEMBL_758292 (CHEMBL1810823)
Ki
316.23±n/a nM
Citation
 Arbuckle, W; Baker, J; Barn, D; Bingham, M; Brown, A; Buchanan, K; Craighead, M; Goodwin, R; Goutcher, S; Kiczun, M; Lyons, A; Milne, R; Montgomery, B; Napier, S; Presland, J; Sloan, H; Turnbull, Z; Wishart, G Optimisation of pharmacokinetic properties to afford an orally bioavailable and selective V1A receptor antagonist. Bioorg Med Chem Lett 21:4622-8 (2011) [PubMed]  Article 
Target
Name:
Vasopressin V1a receptor
Synonyms:
Avpr1a | V1AR_RAT | VASOPRESSIN V1A | Vasopressin V1 receptor | Vasopressin V1a receptor | Vasopressin receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
47674.81
Organism:
RAT
Description:
VASOPRESSIN V1A AVPR1A RAT::P30560
Residue:
424
Sequence:
MSFPRGSQDRSVGNSSPWWPLTTEGSNGSQEAARLGEGDSPLGDVRNEELAKLEIAVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIATSWVLSFILSTPQYFIFSVIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVAPVVVLGTCYGFICYHIWRNIRGKTASSRHSKGDKGSGEAVGPFHKGLLVTPCVSSVKSISRAKIRTVKMTFVIVSAYILCWAPFFIVQMWSVWDENFIWTDSENPSITITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCHSMAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGMWKDSPKSSKSIRFIPVST
  
Inhibitor
Name:
BDBM50418925
Synonyms:
CHEMBL1807257
Type:
Small organic molecule
Emp. Form.:
C22H25Cl2N3O2
Mol. Mass.:
434.359
SMILES:
Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)NC2CCNCC2)cc1 |r|
Structure:
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